Objective This study sought to determine psychosocial and clinico‐demographic factors related to each symptomatic cluster (i.e., aggressiveness, psychosis, apathy/eating problems, and emotion/disinhibition) of neuropsychiatric symptoms (NPSs) in patients with Alzheimer's disease (AD) needing interventional treatment against their agitation or psychotic symptoms. These clusters were classified from 12 Neuropsychiatric Inventory (NPI) subscores in our previous study using the Clinical Antipsychotic Trials of Intervention Effectiveness—Alzheimer's Disease (CATIE‐AD) dataset. Methods Based on clinical data from 421 AD outpatients with agitation or psychotic symptoms needed interventional treatment enrolled in the CATIE‐AD, we conducted logistic regression analyses to examine the relationships between each symptomatic cluster and three psychosocial (marital status, residence, and caregivers' burden) and nine clinico‐demographic (age, gender, education year, general cognition, activity of daily living [ADL], general medical health, race, and intake of anti‐dementia drugs or psychotropics) factors. Results While no factor contributed to aggressiveness, psychosis was associated with several clinico‐demographic factors: female gender, non‐Caucasian race, and lower cognitive function. Apathy/eating problems was associated with more severe caregiver burden, living in one's own home, lower ADL level, and male gender, while emotion/disinhibition was predicted by more severe caregiver burden, lower education level, not‐married status, and younger age. Conclusions Among the four NPS clusters, apathy/eating problems and emotion/disinhibition were associated with psychosocial as well as clinico‐demographic factors in AD patients with psychotic symptoms or agitation needed interventional treatment.